β-Damascenone

CAS Registry Number®

23726-93-4

CAS Name

β-Damascenone

Molecular Formula

C13H18O

Molecular Mass

190.28

Cite this Page

β-Damascenone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=23726-93-4 (retrieved 2024-12-03) (CAS RN: 23726-93-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    116 °C @ Press: 13 Torr

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+

InChIKey

InChIKey=POIARNZEYGURDG-FNORWQNLSA-N

SMILES

C(/C=C/C)(=O)C=1C(C)(C)CC=CC1C

Canonical SMILES

O=C(C=CC)C1=C(C=CCC1(C)C)C

Other Names for this Substance

  • 2-Buten-1-one, 1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-, (2E)-
  • 2-Buten-1-one, 1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-, (E)-
  • (2E)-1-(2,6,6-Trimethyl-1,3-cyclohexadien-1-yl)-2-buten-1-one
  • Damascenone
  • Damascenone, trans-

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Deleted or Replaced CAS Registry Numbers

36649-63-5

CAS INSIGHTSTM
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